3-ethyl-3-(2-methylprop-2-enyl)azetidine

C9H17N — CID 130437978

IUPAC3-ethyl-3-(2-methylprop-2-enyl)azetidine
SMILESC=C(C)CC1(CC)CNC1
InChIInChI=1S/C9H17N/c1-4-9(5-8(2)3)6-10-7-9/h10H,2,4-7H2,1,3H3
InChIKeyXDRWVLPFWAUADU-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds3

About 3-ethyl-3-(2-methylprop-2-enyl)azetidine

3-ethyl-3-(2-methylprop-2-enyl)azetidine (PubChem CID 130437978) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-2-enyl)azetidine.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-2-enyl)azetidine
PubChem CID130437978
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-ethyl-3-(2-methylprop-2-enyl)azetidine
SMILESC=C(C)CC1(CC)CNC1
InChIInChI=1S/C9H17N/c1-4-9(5-8(2)3)6-10-7-9/h10H,2,4-7H2,1,3H3
InChIKeyXDRWVLPFWAUADU-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylprop-2-enyl)azetidine?
The IUPAC name of 3-ethyl-3-(2-methylprop-2-enyl)azetidine (CID 130437978) is 3-ethyl-3-(2-methylprop-2-enyl)azetidine.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-2-enyl)azetidine?
The canonical SMILES for 3-ethyl-3-(2-methylprop-2-enyl)azetidine is C=C(C)CC1(CC)CNC1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-2-enyl)azetidine?
The InChIKey is XDRWVLPFWAUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(5-8(2)3)6-10-7-9/h10H,2,4-7H2,1,3H3.
What are the key properties of 3-ethyl-3-(2-methylprop-2-enyl)azetidine?
3-ethyl-3-(2-methylprop-2-enyl)azetidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylprop-2-enyl)azetidine is sourced from PubChem (CID 130437978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).